2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(1S)-1-methyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-1-[(3S)-3-methyl-1-piperidinyl]-1-oxopropan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(1S)-2-keto-1-methyl-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)[NH2+]C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H](C)[NH2+]C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H24N2O3/c1-12-4-3-7-19(11-12)17(20)13(2)18-14-5-6-15-16(10-14)22-9-8-21-15/h5-6,10,12-13,18H,3-4,7-9,11H2,1-2H3/p+1/t12-,13-/m0/s1